SCHEMBL2816787

SCHEMBL2816787

CN1CCN(C(=O)C2CCC3(CC2)CCN(C(=O)OC(C)(C)C)CC3)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.57
RECQL P46063 1/20 0.54
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
EPHX2 P34913 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.39
EPHX1 P07099 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
DDB1 Q16531 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23267637 0.90 HPGD (0.53) HPGDRECQLHTTLMNATP53
SCHEMBL2820688 0.89 HPGD (0.72) HPGDRECQLGPR119USP2SMN1; SMN2
SCHEMBL12695931 0.88 HPGD (0.51) HPGDRECQLHTTLMNAGPR119
SCHEMBL3138100 0.86 HPGD (0.75) HPGDRECQLHTTLMNAGPR119
SCHEMBL3965390 0.84 HPGD (0.72) HPGDRECQLHTTLMNAEPHX2
SCHEMBL1779347 0.83 USP2 (0.51) HPGDRECQLGPR119EPHX2USP2
SCHEMBL14996485 0.83 HTT (0.59) HPGDHTTLMNAALDH1A1ITGB3
SCHEMBL484799 0.82 HSD17B10 (0.49) HPGDRECQLGPR119EPHX2USP2
SCHEMBL2048225 0.81 HPGD (0.76) HPGDRECQLHTTGPR119EPHX2
SCHEMBL31706062 0.81 HPGD (0.76) HPGDRECQLHTTGPR119EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HPGD 386/4885RECQL 305/4885HTT 3621/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HPGD 386/4885RECQL 305/4885HTT 3621/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.